Atomistry » Fluorine » PDB 7db8-7e5h » 7db8
Atomistry »
  Fluorine »
    PDB 7db8-7e5h »
      7db8 »

Fluorine in PDB 7db8: Crystal Structure of Mycobacterium Tuberculosis Phenylalanyl-Trna Synthetase in Complex with Compound Pf-3845

Enzymatic activity of Crystal Structure of Mycobacterium Tuberculosis Phenylalanyl-Trna Synthetase in Complex with Compound Pf-3845

All present enzymatic activity of Crystal Structure of Mycobacterium Tuberculosis Phenylalanyl-Trna Synthetase in Complex with Compound Pf-3845:
6.1.1.20;

Protein crystallography data

The structure of Crystal Structure of Mycobacterium Tuberculosis Phenylalanyl-Trna Synthetase in Complex with Compound Pf-3845, PDB code: 7db8 was solved by M.Xu, X.Zhang, L.Xu, S.Chen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 49.64 / 2.30
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 278.005, 297.814, 65.901, 90, 90, 90
R / Rfree (%) 16.8 / 18.6

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of Mycobacterium Tuberculosis Phenylalanyl-Trna Synthetase in Complex with Compound Pf-3845 (pdb code 7db8). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the Crystal Structure of Mycobacterium Tuberculosis Phenylalanyl-Trna Synthetase in Complex with Compound Pf-3845, PDB code: 7db8:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in 7db8

Go back to Fluorine Binding Sites List in 7db8
Fluorine binding site 1 out of 3 in the Crystal Structure of Mycobacterium Tuberculosis Phenylalanyl-Trna Synthetase in Complex with Compound Pf-3845


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Crystal Structure of Mycobacterium Tuberculosis Phenylalanyl-Trna Synthetase in Complex with Compound Pf-3845 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F404

b:39.3
occ:1.00
 F21 A:H2R404 0.0 39.3 1.0
C20 A:H2R404 1.3 30.2 1.0
F23 A:H2R404 2.1 38.4 1.0
F22 A:H2R404 2.1 38.3 1.0
C17 A:H2R404 2.4 29.2 1.0
C16 A:H2R404 2.8 30.0 1.0
CD1 A:LEU219 3.3 25.0 1.0
CD2 A:LEU219 3.5 22.9 1.0
C18 A:H2R404 3.6 26.9 1.0
CG A:LEU219 3.8 25.9 1.0
CB A:LEU219 4.0 20.8 1.0
N15 A:H2R404 4.1 33.3 1.0
CB A:GLN180 4.2 29.2 1.0
CG2 A:VAL286 4.3 29.1 1.0
CB A:ALA305 4.6 23.0 1.0
CG A:GLN180 4.7 32.7 1.0
C19 A:H2R404 4.7 22.1 1.0
CB A:VAL286 4.8 27.0 1.0
CG1 A:VAL290 4.8 21.1 1.0
C14 A:H2R404 4.9 29.5 1.0
CD2 A:LEU146 5.0 32.1 1.0
CD1 A:ILE181 5.0 25.4 1.0

Fluorine binding site 2 out of 3 in 7db8

Go back to Fluorine Binding Sites List in 7db8
Fluorine binding site 2 out of 3 in the Crystal Structure of Mycobacterium Tuberculosis Phenylalanyl-Trna Synthetase in Complex with Compound Pf-3845


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Crystal Structure of Mycobacterium Tuberculosis Phenylalanyl-Trna Synthetase in Complex with Compound Pf-3845 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F404

b:38.3
occ:1.00
 F22 A:H2R404 0.0 38.3 1.0
C20 A:H2R404 1.3 30.2 1.0
F21 A:H2R404 2.1 39.3 1.0
F23 A:H2R404 2.1 38.4 1.0
C17 A:H2R404 2.4 29.2 1.0
C18 A:H2R404 2.8 26.9 1.0
CD2 A:LEU146 3.2 32.1 1.0
C16 A:H2R404 3.6 30.0 1.0
CG1 A:VAL290 3.9 21.1 1.0
CG2 A:VAL286 4.1 29.1 1.0
C19 A:H2R404 4.1 22.1 1.0
CB A:PHE257 4.2 22.2 1.0
CG2 A:VAL290 4.5 22.9 1.0
O A:PHE257 4.6 23.8 1.0
CD1 A:ILE181 4.6 25.4 1.0
CD1 A:PHE257 4.6 20.3 1.0
CG A:PHE257 4.7 24.0 1.0
CB A:VAL290 4.7 31.2 1.0
CG A:LEU146 4.7 30.6 1.0
N15 A:H2R404 4.7 33.3 1.0
C14 A:H2R404 4.9 29.5 1.0
CB A:VAL286 5.0 27.0 1.0

Fluorine binding site 3 out of 3 in 7db8

Go back to Fluorine Binding Sites List in 7db8
Fluorine binding site 3 out of 3 in the Crystal Structure of Mycobacterium Tuberculosis Phenylalanyl-Trna Synthetase in Complex with Compound Pf-3845


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Crystal Structure of Mycobacterium Tuberculosis Phenylalanyl-Trna Synthetase in Complex with Compound Pf-3845 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F404

b:38.4
occ:1.00
 F23 A:H2R404 0.0 38.4 1.0
C20 A:H2R404 1.3 30.2 1.0
F21 A:H2R404 2.1 39.3 1.0
F22 A:H2R404 2.1 38.3 1.0
C17 A:H2R404 2.4 29.2 1.0
C16 A:H2R404 3.2 30.0 1.0
C18 A:H2R404 3.2 26.9 1.0
CD2 A:LEU146 3.5 32.1 1.0
O A:SER177 3.7 25.8 1.0
CB A:SER177 3.7 34.0 1.0
CB A:GLN180 3.8 29.2 1.0
CD1 A:ILE181 3.9 25.4 1.0
CA A:SER177 4.1 29.1 1.0
OG A:SER177 4.2 38.8 1.0
C A:SER177 4.3 24.2 1.0
CG1 A:ILE181 4.3 28.0 1.0
N15 A:H2R404 4.4 33.3 1.0
C19 A:H2R404 4.5 22.1 1.0
N A:ILE181 4.6 23.5 1.0
CG A:GLN180 4.7 32.7 1.0
CG A:LEU146 4.7 30.6 1.0
CD2 A:LEU219 4.8 22.9 1.0
CA A:GLN180 4.8 27.6 1.0
OE1 A:GLN180 4.8 33.9 1.0
C A:GLN180 4.8 27.2 1.0
C14 A:H2R404 4.9 29.5 1.0
CG1 A:VAL290 5.0 21.1 1.0

Reference:

H.Wang, M.Xu, C.A.Engelhart, X.Zhang, B.Yan, M.Pan, Y.Xu, S.Fan, R.Liu, L.Xu, L.Hua, D.Schnappinger, S.Chen. Re-Discovery of Pf-3845 As A New Chemical Scaffold Inhibiting Phenylalanyl-Trna Synthetase in Mycobacterium Tuberculosis . J.Biol.Chem. 2021.
ISSN: ESSN 1083-351X
PubMed: 33397709
DOI: 10.1074/JBC.RA120.016477
Page generated: Fri Aug 2 06:27:00 2024

Last articles

Zn in 9MJ5
Zn in 9HNW
Zn in 9G0L
Zn in 9FNE
Zn in 9DZN
Zn in 9E0I
Zn in 9D32
Zn in 9DAK
Zn in 8ZXC
Zn in 8ZUF
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy